tert-Butyl (3-formyl-4-nitrophenyl) carbonate CAS 1027818-09-2
| CAS No. | 1027818-09-2 |
| Molecular Formula | C12H13NO6 |
| Molecular Weight | 267.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 267.23 g/mol gives tert-Butyl (3-formyl-4-nitrophenyl) carbonate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
tert-Butyl (3-formyl-4-nitrophenyl) carbonate (CAS 1027818-09-2) is a high-purity analytical reference standard with the molecular formula C12H13NO6 and a molecular weight of 267.23 g/mol.
Structurally, tert-Butyl (3-formyl-4-nitrophenyl) carbonate (C12H13NO6) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 267.23 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C12H13NO6 |
| Molecular Weight | 267.23 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Nitrogen Atoms | 1 |
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